Acetic Acid → HCID 16757576, compound

HRID 2323499Notes

Reaction equation

HRID 2323499 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([CH3:21])[cH:7][c:8]2[c:9](=[O:20])[cH:10][c:11](-[c:14]3[cH:15][cH:16][n:17][cH:18][cH:19]3)[o:12][c:13]12.[C:33]([BH3-:34])#[N:35].[CH3:22][C:23](=[O:24])[OH:25].[CH3:37][OH:38].[NH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Na+:36]>>[CH:1]([CH3:2])([c:4]1[cH:5][c:6]([CH3:21])[cH:7][c:8]2[c:9](=[O:20])[cH:10][c:11](-[c:14]3[cH:15][cH:16][n:17][cH:18][cH:19]3)[o:12][c:13]12)[NH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6115AnilineHCID 498716Cyano-borohydrideHCID 57883105HCID 57883105, compound

Product 1

HCID 16757576HCID 16757576, compound

Sources & evidence

ORD record
ord-93bc22852ecb4bd2b83fe05b6af58074
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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